N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide

C23H21F2NO3 — CID 134112697

IUPACN-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C23H21F2NO3/c1-23(2,3)22(27)26-17-12-20(28-18-8-4-15(24)5-9-18)14-21(13-17)29-19-10-6-16(25)7-11-19/h4-14H,1-3H3,(H,26,27)
InChIKeyPDUGOKUXJHQFGK-UHFFFAOYSA-N
MW397.42 g/mol
LogP6.53
Rot. Bonds5

About N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide

N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide (PubChem CID 134112697) has the molecular formula C23H21F2NO3 and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide
PubChem CID134112697
Molecular FormulaC23H21F2NO3
Molecular Weight397.42 g/mol
Exact Mass397.15
IUPAC NameN-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C23H21F2NO3/c1-23(2,3)22(27)26-17-12-20(28-18-8-4-15(24)5-9-18)14-21(13-17)29-19-10-6-16(25)7-11-19/h4-14H,1-3H3,(H,26,27)
InChIKeyPDUGOKUXJHQFGK-UHFFFAOYSA-N
XLogP6.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.42
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 30855027
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
CID 112982446
(4-phenoxyphenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870391
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
2-[4-(4-fluorophenoxy)-3,5-dimethylanilino]-2-oxoacetic acid
CID 18614062
N-(5-fluoro-3-pyridinyl)-2,2-dimethylpropanamide
CID 86726332
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 158094253

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide (CID 134112697) is N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)c1.
What is the InChIKey of N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide?
The InChIKey is PDUGOKUXJHQFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO3/c1-23(2,3)22(27)26-17-12-20(28-18-8-4-15(24)5-9-18)14-21(13-17)29-19-10-6-16(25)7-11-19/h4-14H,1-3H3,(H,26,27).
What are the key properties of N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide?
N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide has a molecular weight of 397.42 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(4-fluorophenoxy)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134112697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).